| SpectraBase Compound ID | Fc3nCm0t0Mi |
|---|---|
| InChI | InChI=1S/C22H39NO3/c1-2-3-4-5-6-9-18-26-22(25)20-14-16-23(17-15-20)21(24)13-12-19-10-7-8-11-19/h19-20H,2-18H2,1H3 |
| InChIKey | MDZAEAVBSQDCTF-UHFFFAOYSA-N |
| Mol Weight | 365.6 g/mol |
| Molecular Formula | C22H39NO3 |
| Exact Mass | 365.292994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9bYJRwmUNyB |
|---|---|
| Name | Isonipecotic acid, N-(3-cyclopentylpropionyl)-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 365.292994117 u |
| Formula | C22H39NO3 |
| InChI | InChI=1S/C22H39NO3/c1-2-3-4-5-6-9-18-26-22(25)20-14-16-23(17-15-20)21(24)13-12-19-10-7-8-11-19/h19-20H,2-18H2,1H3 |
| InChIKey | MDZAEAVBSQDCTF-UHFFFAOYSA-N |
| Molecular Weight | 365.558 g/mol |
| SMILES | CCCCCCCCOC(C1CCN(C(=O)CCC2CCCC2)CC1)=O |